| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:45:54 UTC |
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| Update Date | 2025-03-21 18:00:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00028749 |
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| Frequency | 130.7 |
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| Structure | |
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| Chemical Formula | C14H18O2 |
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| Molecular Mass | 218.1307 |
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| SMILES | Cc1ccc(C)c(CC2CCC(=O)O2)c1C |
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| InChI Key | MVMMLFYDDXHVES-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | lactones |
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| Subclass | gamma butyrolactones |
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| Direct Parent | gamma butyrolactones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | benzene and substituted derivativescarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundstetrahydrofurans |
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| Substituents | monocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundtetrahydrofurancarboxylic acid derivativegamma butyrolactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativebenzenoidorganooxygen compound |
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